SCHEMBL9970010

SCHEMBL9970010

CN1CC[C@@H](NC(=O)Oc2ccc(OC(F)(F)F)cc2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.51
MTOR P42345 1/20 0.46
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2069264 0.88 EPHX2 (0.52) HTR2B
Hydrochloric Acid SCHEMBL2067257 0.87 EPHX2 (0.52) HTR2B
SCHEMBL20204376 0.86 USP30 (0.44) HTR2BHCRTR1HCRTR2SMN1; SMN2POLB
Trifluoroacetic Acid SCHEMBL2067634 0.80 HTR2B (0.49) HTR2BSMN1; SMN2
SCHEMBL9970053 0.79 HTR2B (0.55) HTR2BSMN1; SMN2
SCHEMBL9970064 0.79 USP30 (0.41) HTR2BHCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL2067284 0.79 GID4 (0.49)
SCHEMBL18536508 0.79 HTR2B (0.41) HTR2BHCRTR1HCRTR2
SCHEMBL2067359 0.79 HTR2B (0.41) HTR2BHCRTR1HCRTR2
SCHEMBL9970051 0.78 GID4 (0.54)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 HTR2B 3323/4885MTOR 1627/4885HCRTR1 3914/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.